{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.121954800000001 0.017601800000000004 -2.7717733000000004 ] [ 0.9062128000000003 -0.04669620000000001 -1.0101064000000002 ] [ 1.9626593000000006 1.2047195000000002 -1.6045035000000005 ] [ 0.28127520000000006 0.9589549000000003 3.660581500000001 ] [ 0.7305920000000001 0.13093140000000003 1.0898328000000002 ] [ -0.3935035000000001 -2.9817746000000005 -2.3582753000000003 ] [ -2.1547376000000003 1.1576496000000003 -0.7044167000000001 ] [ -4.454452900000001 -0.4413864000000001 3.698660900000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.001922991754341e-09 2.820119244399745e-11 -4.440870379417666e-09 ] [ 1.451912961629707e-09 -7.481555992020097e-11 -1.618368858600454e-09 ] [ 3.144526845055694e-09 1.930173417521866e-09 -2.570697995691774e-09 ] [ 4.506525494508442e-10 1.536415121181602e-09 5.864898097832997e-09 ] [ 1.170537421743514e-09 2.097752280086132e-10 1.746104632741002e-09 ] [ -6.304621079029731e-10 -4.777329552615272e-09 -3.778373551070107e-09 ] [ -3.452270206678702e-09 1.854759124198472e-09 -1.128599968041088e-09 ] [ -7.136820294834761e-09 -7.071789708190773e-10 5.925908022247088e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.003846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.608234369928361e-18 } }